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BDBM50000459 CHEMBL553733

SMILES: Cl.Clc1cccc2c1ccn([C@@H]1CN3CCC1CC3)c2=O

InChI Key: InChIKey=HEFILHZNROMHGG-XFULWGLBSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50000459   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000459
PNG
(CHEMBL553733)
Show SMILES Cl.Clc1cccc2c1ccn([C@@H]1CN3CCC1CC3)c2=O |r,wU:11.10,(5.24,.45,;1.33,-2.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-2.69,.77,;-4.02,1.55,;-3.98,3.16,;-5.37,3.98,;-5.91,2.55,;-4.84,1.88,;-5.42,.72,;-6.81,1.56,;-6.78,3.19,;-1.33,1.54,;-1.33,2.77,)|
Show InChI InChI=1S/C16H17ClN2O.ClH/c17-14-3-1-2-13-12(14)6-9-19(16(13)20)15-10-18-7-4-11(15)5-8-18;/h1-3,6,9,11,15H,4-5,7-8,10H2;1H/t15-;/m1./s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.5n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair